Geometry & MOs

Info

ID:	291910
PubChem CID:	113751988
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	254.129824
ΔH_f, kcal/mol:	37.18
Dipole, Da:	3.41
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-yl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2C=CC3=C2C=C(C=C3)C=O

DOS

IR

Vibrations